Carbon-to-Carbon Identity Proton Transfer from Allene, Ketene, Ketenimine, and Thioketene to Their Respective Conjugate Anions in the Gas Phase. An ab Initio Study

Gas-phase acidities of CH2CX (X = CH2, NH, O, and S) and barriers for the identity proton transfers (XCCH2 + HC⋮CX - ⇌ - XC⋮CH + CH2CX) as well as geometries and charge distributions of CH2CX, HC⋮C−X - and the transition states of the proton transfer were determined by ab initio methods at...

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Veröffentlicht in:	Journal of the American Chemical Society 2001-07, Vol.123 (29), p.7146-7153
Hauptverfasser:	Bernasconi, Claude F, Wenzel, Philip J
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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